SCHEMBL7706874

SCHEMBL7706874

COc1cc2c3c(cccc3c1N1CCCC1)CN(O)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.40
MAPT P10636 6/20 0.35
KMT2A Q03164 4/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 2/20 0.35
KDM4E B2RXH2 2/20 0.35
LMNA P02545 2/20 0.35
PABPC1 P11940 1/20 0.35
XBP1 P17861 1/20 0.35
NFKB1 P19838 1/20 0.35
HTT P42858 1/20 0.35
SMARCA2 P51531 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
GAA P10253 3/20 0.34
ATM Q13315 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HIF1A Q16665 1/20 0.34
MEN1 O00255 2/20 0.33
GFER P55789 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8457485 0.80 ALDH1A1 (0.35) MAPTKMT2AALDH1A1KDM4ELMNA
SCHEMBL8582260 0.80 MEN1 (0.34) KMT2ALMNAXBP1HTTHIF1A
SCHEMBL8319834 0.77 AR (0.40) MAPTALDH1A1KDM4ELMNACASP1
SCHEMBL7712199 0.72 KMT2A (0.64) MAPTKMT2AALDH1A1POLBKDM4E
SCHEMBL7706806 0.72 KMT2A (0.62) MAPTKMT2AALDH1A1POLBKDM4E
SCHEMBL8317184 0.70 MTNR1A (0.42) MAPTKMT2AALDH1A1POLBKDM4E
SCHEMBL8458265 0.69 MAOB (0.38)
SCHEMBL7709605 0.66 MAPT (0.57) MAPTKMT2AALDH1A1POLBKDM4E
SCHEMBL8459553 0.65 ALDH1A1 (0.39) MAPTKMT2AALDH1A1POLBLMNA
SCHEMBL8460401 0.63 ALDH1A1 (0.35) MAPTALDH1A1LMNAHTTDRD1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6362181-B1 BACTERICIDES; ENZYME INHIBITORS; ANTITUMOR AGENTS WARNER-LAMBERT COMPANY 2002-03-26 US claimed
US-6177423-B1 N-(HYDROXY OR PROTECTED HYDROXY)-BENZO(DE)ISOQUINOLINE-1,3-DIONE DERIVATIVES; BACTERIAL DNA GYRASE AND DNA TOPOISOMERASE INHIBITORS USEFUL FOR ANTIBACTERIAL AGENTS HAVING REDUCED DRUG RESISTANCE AND REDUCED SIDE EFFECTS WARNER-LAMBERT COMPANY 2001-01-23 US claimed
EP-0939754-A2 N-OXY-NAPHTHALIMIDES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1999-09-08 EP claimed
WO-1998019648-A2 N-OXY-NAPHTHALIMIDES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1998-05-14 WO claimed